SCHEMBL3928840

SCHEMBL3928840

CCOC(=O)c1ccc(N2CCc3c(OC4CCN(C(=O)O)CC4)cccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.55
NPY2R P49146 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
HTT P42858 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4490826 0.89 GPR119 (0.71) GPR119PDE4BALDH1A1TP53POLB
SCHEMBL3927520 0.88 GPR119 (0.58) GPR119NPY2RHTTPDE4BALDH1A1
SCHEMBL4758509 0.80 GPR119 (0.50) GPR119ALDH1A1RAB9AMEN1MAPT
SCHEMBL3928520 0.78 GPR119 (0.77) GPR119PDE4B
SCHEMBL3341121 0.76 POLB (0.54) NPY2RTDP1POLBKDM4EMEN1
SCHEMBL3934710 0.75 GPR119 (0.58) GPR119
SCHEMBL4492217 0.74 GPR119 (0.73) GPR119PDE4BKDM4EKMT2A
SCHEMBL11398454 0.74 GPR119 (0.79) GPR119PDE4B
SCHEMBL3929937 0.73 GPR119 (0.61) GPR119
SCHEMBL11384800 0.73 GPR119 (0.80) GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043744-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2009-04-08 EP disclosed
WO-2008008895-A1 GPR119 AGONISTS FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed
WO-2008008887-A2 GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed